methyl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]carbamate

C20H21FN2O2 — CID 23383839

IUPACmethyl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(C(=C2CCNCC2)c2cccc(F)c2)cc1
InChIInChI=1S/C20H21FN2O2/c1-25-20(24)23-18-7-5-14(6-8-18)19(15-9-11-22-12-10-15)16-3-2-4-17(21)13-16/h2-8,13,22H,9-12H2,1H3,(H,23,24)
InChIKeyZMJAACYRALCGSD-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.19
Rot. Bonds3

About methyl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]carbamate

methyl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]carbamate (PubChem CID 23383839) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is methyl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]carbamate
PubChem CID23383839
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Namemethyl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(C(=C2CCNCC2)c2cccc(F)c2)cc1
InChIInChI=1S/C20H21FN2O2/c1-25-20(24)23-18-7-5-14(6-8-18)19(15-9-11-22-12-10-15)16-3-2-4-17(21)13-16/h2-8,13,22H,9-12H2,1H3,(H,23,24)
InChIKeyZMJAACYRALCGSD-UHFFFAOYSA-N
XLogP4.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]carbamate (CID 23383839) is methyl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]carbamate is COC(=O)Nc1ccc(C(=C2CCNCC2)c2cccc(F)c2)cc1.
What is the InChIKey of methyl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]carbamate?
The InChIKey is ZMJAACYRALCGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-25-20(24)23-18-7-5-14(6-8-18)19(15-9-11-22-12-10-15)16-3-2-4-17(21)13-16/h2-8,13,22H,9-12H2,1H3,(H,23,24).
What are the key properties of methyl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]carbamate?
methyl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]carbamate has a molecular weight of 340.40 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]carbamate is sourced from PubChem (CID 23383839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).